| SpectraBase Compound ID | 1Wk0BBibRoT |
|---|---|
| InChI | InChI=1S/C42H66O13/c1-37(2)17-21-20-10-11-24-41(7,40(20,6)15-14-39(21,5)26(45)18-37)13-12-23-38(3,4)27(16-25(44)42(23,24)8)53-36-33(30(48)29(47)32(54-36)34(50)51-9)55-35-31(49)28(46)22(43)19-52-35/h10-11,22-33,35-36,43-49H,12-19H2,1-9H3/t22-,23+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33-,35+,36-,39-,40-,41-,42+/m1/s1 |
| InChIKey | MTBRJTQZDSMUFZ-ZZCOHQODSA-N |
| Mol Weight | 779.0 g/mol |
| Molecular Formula | C42H66O13 |
| Exact Mass | 778.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vYHPKdKox0 |
|---|---|
| Name | 3-BETA-O-BETA-XYLOPYRANOSYL-(1->2)-BETA-GLUCURONOPYRANOSYL-OLEAN-11,13(18)-DIEN-1-BETA,3-BETA,22-BETA-TRIOL |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O13 |
| InChI | InChI=1S/C42H66O13/c1-37(2)17-21-20-10-11-24-41(7,40(20,6)15-14-39(21,5)26(45)18-37)13-12-23-38(3,4)27(16-25(44)42(23,24)8)53-36-33(30(48)29(47)32(54-36)34(50)51-9)55-35-31(49)28(46)22(43)19-52-35/h10-11,22-33,35-36,43-49H,12-19H2,1-9H3/t22-,23+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33-,35+,36-,39-,40-,41-,42+/m1/s1 |
| InChIKey | MTBRJTQZDSMUFZ-ZZCOHQODSA-N |
| Literature Reference Author | Z.Z.IBRAHEIM,H.A.HASSANEAN,D.W.BISHAY |
| Literature Reference Citation | PHYTOCHEM.,62,1201(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00620-9 |
| Molecular Weight | 778.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29623 |